5-butylsulfanyl-1,3-dimethyl-7-(3-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-butylsulfanyl-1,3-dimethyl-7-(3-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-butylsulfanyl-1,3-dimethyl-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-(butylthio)-1,3-dimethyl-7-(3-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-butylsulfanyl-1,3-dimethyl-7-(3-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(butylthio)-1,3-dimethyl-7-(m-tolyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H22N4O2S MolecularWeight: 370.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCSC1=NC(=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)C

InChI

InChI=1S/C19H22N4O2S/c1-5-6-10-26-17-14-16(22(3)19(25)23(4)18(14)24)20-15(21-17)13-9-7-8-12(2)11-13/h7-9,11H,5-6,10H2,1-4H3